2,7-bis(2-methyl-2-piperidin-1-yl-propanoyl)thioxanthen-9-one

Systemtic Name: 2,7-bis(2-methyl-2-piperidin-1-yl-propanoyl)thioxanthen-9-one Openeye Name: 2,7-bis[2-methyl-2-(1-piperidyl)propanoyl]thioxanthen-9-one CAS Name: 2,7-bis[2-methyl-1-oxo-2-(1-piperidinyl)propyl]-9-thioxanthenone IUPAC Name: 2,7-bis(2-methyl-2-piperidin-1-ylpropanoyl)thioxanthen-9-one Traditional Name: 2,7-bis(2-methyl-2-piperidino-propanoyl)thioxanthen-9-one Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)C(=O)C(C)(C)N4CCCCC4)N5CCCCC5

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)C(=O)C(C)(C)N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C31H38N2O3S/c1-30(2,32-15-7-5-8-16-32)28(35)21-11-13-25-23(19-21)27(34)24-20-22(12-14-26(24)37-25)29(36)31(3,4)33-17-9-6-10-18-33/h11-14,19-20H,5-10,15-18H2,1-4H3